| SpectraBase Spectrum ID |
A2TCgrtCXz1 |
| Name |
p-Hydroxy-.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl ester of benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.050378636 u |
| Formula |
C14H9F3O3 |
| InChI |
InChI=1S/C14H9F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-13(19)9-1-5-11(18)6-2-9/h1-8,18H |
| InChIKey |
JJRAQSRIZBVWBD-UHFFFAOYSA-N |
| Molecular Weight |
282.218 g/mol |
| SMILES |
C(C1=CC=C(OC(C=2C=CC(=CC2)O)=O)C=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951732 |
